BDBM382314 US10273244, Example 195::US10584135, Example 195

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O

InChI Key: InChIKey=XTXKTQKZXFWQIP-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 382314   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM382314 (US10273244, Example 195 | US10584135, Example 195) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C25H28F3N7OS/c1-33-23(16-3-8-20(22(29)36)30-13-16)31-32-24(33)37-12-2-10-34-14-17-9-11-35(21(17)15-34)19-6-4-18(5-7-19)25(26,27)28/h3-8,13,17,21H,2,9-12,14-15H2,1H3,(H2,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description [3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...				US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM382314 (US10273244, Example 195 | US10584135, Example 195) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C25H28F3N7OS/c1-33-23(16-3-8-20(22(29)36)30-13-16)31-32-24(33)37-12-2-10-34-14-17-9-11-35(21(17)15-34)19-6-4-18(5-7-19)25(26,27)28/h3-8,13,17,21H,2,9-12,14-15H2,1H3,(H2,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.776	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description 3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM382314 (US10273244, Example 195 | US10584135, Example 195) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C25H28F3N7OS/c1-33-23(16-3-8-20(22(29)36)30-13-16)31-32-24(33)37-12-2-10-34-14-17-9-11-35(21(17)15-34)19-6-4-18(5-7-19)25(26,27)28/h3-8,13,17,21H,2,9-12,14-15H2,1H3,(H2,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were re-suspended ...				US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM382314 (US10273244, Example 195 | US10584135, Example 195) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C25H28F3N7OS/c1-33-23(16-3-8-20(22(29)36)30-13-16)31-32-24(33)37-12-2-10-34-14-17-9-11-35(21(17)15-34)19-6-4-18(5-7-19)25(26,27)28/h3-8,13,17,21H,2,9-12,14-15H2,1H3,(H2,29,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H
					More data for this Ligand-Target Pair